@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3320
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     3.2954     1.2999     0.5198	N.2	1	noname	-0.2174
2	C1     2.2024     2.1079     0.5408	C.2	1	noname	0.0583
3	C2     3.2034    -0.0489     0.5068	C.2	1	noname	0.0594
4	N2     2.3434     3.4599     0.5539	N.3	1	noname	0.0091
5	C3     0.9204     1.5219     0.5489	C.2	1	noname	0.0030
6	N3     1.9824    -0.6299     0.5129	N.2	1	noname	-0.2355
7	C4     3.5353     4.1009     0.5629	C.2	1	noname	-0.0414
8	C5     0.8474     0.1080     0.5319	C.2	1	noname	0.0250
9	C6    -0.2844     2.2509     0.5729	C.2	1	noname	0.0256
10	C7     4.2152     4.3599     1.7739	C.2	1	noname	-0.0333
11	C8     4.0882     4.5299    -0.6589	C.2	1	noname	-0.0609
12	C9    -0.3985    -0.5388     0.5350	C.2	1	noname	0.0085
13	N4    -1.4704     1.5930     0.5749	N.2	1	noname	-0.2577
14	N5     3.6952     3.9740     2.9679	N.3	1	noname	-0.1359
15	C10     5.4531     5.0319     1.7450	C.2	1	noname	-0.0695
16	C11     5.3221     5.2009    -0.6788	C.2	1	noname	-0.0926
17	C12    -1.5645     0.2411     0.5560	C.2	1	noname	0.0377
18	C13     4.2421     2.8411     3.6399	C.3	1	noname	-0.0087
19	C14     2.6192     4.7149     3.5389	C.3	1	noname	-0.0087
20	C15     6.0061     5.4499     0.5221	C.2	1	noname	-0.0851
21	N6    -2.7755    -0.3307     0.5571	N.3	1	noname	-0.1172
22	H1     4.0473    -0.6228     0.4929	H	1	noname	0.1062
23	H2     1.5423     4.0049     0.5599	H	1	noname	0.1358
24	H3    -0.2795     3.2709     0.5880	H	1	noname	0.0848
25	H4     3.5962     4.3499    -1.5348	H	1	noname	0.0639
26	H5    -0.4546    -1.5587     0.5220	H	1	noname	0.0679
27	H6     5.9521     5.2199     2.6150	H	1	noname	0.0639
28	H7     5.7221     5.5069    -1.5667	H	1	noname	0.0623
29	H8     3.7171     2.6501     4.5759	H	1	noname	0.0398
30	H9     4.1521     1.9572     3.0080	H	1	noname	0.0398
31	H10     5.2961     3.0131     3.8640	H	1	noname	0.0398
32	H11     2.3232     4.2980     4.5019	H	1	noname	0.0398
33	H12     2.9242     5.7520     3.6920	H	1	noname	0.0398
34	H13     1.7532     4.6930     2.8750	H	1	noname	0.0398
35	H14     6.9030     5.9369     0.5081	H	1	noname	0.0623
36	H15    -2.8585    -1.2966     0.5431	H	1	noname	0.1257
37	H16    -3.5695     0.2252     0.5711	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	22	1
7	4	7	1
8	4	23	1
9	5	8	1
10	5	9	2
11	6	8	1
12	7	10	2
13	7	11	1
14	8	12	2
15	9	13	1
16	9	24	1
17	10	14	1
18	10	15	1
19	11	16	2
20	11	25	1
21	12	17	1
22	12	26	1
23	13	17	2
24	14	18	1
25	14	19	1
26	15	20	2
27	15	27	1
28	16	20	1
29	16	28	1
30	17	21	1
31	18	29	1
32	18	30	1
33	18	31	1
34	19	32	1
35	19	33	1
36	19	34	1
37	20	35	1
38	21	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1